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Full input and output files for computationally docked structures of congeneric ligands similar to
BDBM50292716
=
TXS
in crystal structure
3D8Z
3D8Z.mol2
3D8Z-voxthresh-6.pdb
3D8Z-voxthresh-5.pdb
BindingDB_50292718.frags.mol2
3D8Z-voxthresh-1.pdb
BindingDB_50292724.mol2
prot-log.txt
3D8Z_sdf-log.txt
3D8Z-results_tab.log
3D8Z-voxthresh-3.pdb
3D8Z-voxthresh-4.pdb
3D8Z-results_BindingDB_50292722.mol2
3D8Z-results_BindingDB_50292717.mol2
BindingDB_50292720.docklog.results_tab.log
BindingDB_50292719.docklog.mol2
3D8Z-marked-protein.pdb
BindingDB_50292717.docklog
3D8Z-results_BindingDB_50292716.mol2
BindingDB_50331790.docklog.mol2
bdb_3D8Z_TXS_sim.txt
BindingDB_50342007.frags.mol2
BindingDB_50292723.mol2
BindingDB_50331792.docklog.mol2
3D8Z-results_BindingDB_50292718.mol2
BindingDB_50292718.mol2
BindingDB_50292720.docklog.mol2
BindingDB_50292718.docklog.results_tab.log
BindingDB_50292720.mol2
BindingDB_50118239.mol2
BindingDB_50292716.mol2
BindingDB_50292722.docklog.results_tab.log
TXS.sdf
BindingDB_50342006.mol2
BindingDB_50292722.mol2
BindingDB_50292714.frags.mol2
BindingDB_50118239.docklog.results_tab.log
3D8Z-results_BindingDB_50292724.mol2
3D8Z-results_BindingDB_50342006.mol2
BindingDB_50292724.docklog
BindingDB_50342008.docklog
3D8Z-voxthresh-8.pdb
BindingDB_50331792.frags.mol2
BindingDB_50118239.frags.mol2
BindingDB_50292719.docklog.results_tab.log
BindingDB_50331792.docklog.results_tab.log
3D8Z-results_BindingDB_50292714.mol2
3D8Z-marked-vox.pdb
BindingDB_50342008.frags.mol2
BindingDB_50292723.frags.mol2
3D8Z_water.mol2
log-results.mol2
BindingDB_50292722.docklog.mol2
3D8Z.csv
BindingDB_50292724.docklog.results_tab.log
BindingDB_50292717.mol2
BindingDB_50342009.docklog
BindingDB_50292717.frags.mol2
BindingDB_50342006.docklog.results_tab.log
BindingDB_50292715.frags.mol2
BindingDB_50331792.mol2
BindingDB_50292718.docklog.mol2
BindingDB_50292717.docklog.results_tab.log
log-results_tab.log
BindingDB_50292723.docklog.results_tab.log
BindingDB_50342006.frags.mol2
3D8Z-voxthresh-7.pdb
BindingDB_50331792.docklog
3D8Z_sdf.mol2
protein_sampling.mol2
3D8Z_congener-log.txt
BindingDB_50292715.docklog.mol2
BindingDB_50292714.docklog.mol2
3D8Z.opt-protein-trim.mol2
BindingDB_50292720.frags.mol2
3D8Z-voxthresh-2.pdb
3D8Z_ligand0.mol2
3D8Z-results_BindingDB_50331790.mol2
log
BindingDB_50342007.docklog
BindingDB_50292719.mol2
ligand_sampling.mol2
BindingDB_50342006.docklog.mol2
BindingDB_50342007.docklog.mol2
BindingDB_50342009.frags.mol2
BindingDB_50342008.docklog.mol2
BindingDB_50292716.docklog.results_tab.log
BindingDB_50292719.frags.mol2
BindingDB_50292716.docklog
BindingDB_50331790.frags.mol2
BindingDB_50292722.docklog
3D8Z_congener.mol2
BindingDB_50292717.docklog.mol2
BindingDB_50292723.docklog
3D8Z-protomol.mol2
BindingDB_50292714.docklog
BindingDB_50292716.docklog.mol2
BindingDB_50292716.frags.mol2
BindingDB_50331790.docklog
BindingDB_50292719.docklog
BindingDB_50292720.docklog
scale
frag2.mol2
3D8Z-results_BindingDB_50292720.mol2
prot.mol2
BindingDB_50292722.frags.mol2
BindingDB_50342008.mol2
BindingDB_50292724.frags.mol2
BindingDB_50118239.docklog.mol2
BindingDB_50118239.docklog
3D8Z-results_BindingDB_50342007.mol2
BindingDB_50342009.docklog.results_tab.log
3D8Z.pdb
bdb_3D8Z_TXS_3D.sdf
3D8Z-results_BindingDB_50292723.mol2
BindingDB_50331790.docklog.results_tab.log
BindingDB_50292715.docklog.results_tab.log
3D8Z-voxthresh-9.pdb
BindingDB_50292715.mol2
BindingDB_50342009.docklog.mol2
BindingDB_50292714.mol2
3D8Z-voxthresh-10.pdb
BindingDB_50292723.docklog.mol2
BindingDB_50342008.docklog.results_tab.log
BindingDB_50342007.docklog.results_tab.log
3D8Z-results_BindingDB_50331792.mol2
BindingDB_50342007.mol2
BindingDB_50331790.mol2
BindingDB_50292714.docklog.results_tab.log
3D8Z.Targets
3D8Z-results.mol2
BindingDB_50292715.docklog
BindingDB_50342006.docklog
3D8Z-results_BindingDB_50292715.mol2
BindingDB_50292724.docklog.mol2
BindingDB_50342009.mol2
frag1.mol2
BindingDB_50292718.docklog
3D8Z-results_BindingDB_50292719.mol2
3D8Z-voxthresh-0.pdb